Inheritance diagram for TBTK::Sto3g:

Public Member Functions
	Sto3g (double slaterExponent, const std::vector< double > &coordinates, const Index &index, int spinIndex=-1)

virtual Sto3g *	clone () const

virtual std::complex< double >	getOverlap (const AbstractState &ket) const

virtual std::complex< double >	getMatrixElement (const AbstractState &ket, const AbstractOperator &o) const

Public Member Functions inherited from TBTK::AbstractState
	AbstractState (StateID stateID)

virtual	~AbstractState ()

StateID	getStateID () const

void	setCoordinates (std::initializer_list< double > coordinates)

void	setCoordinates (const std::vector< double > &coordinates)

void	setSpecifiers (std::initializer_list< int > specifiers)

void	setSpecifiers (const std::vector< int > &specifiers)

void	setIndex (const Index &index)

void	setContainer (const Index &container)

void	setExtent (double extent)

const std::vector< double > &	getCoordinates () const

const std::vector< int > &	getSpecifiers () const

const Index &	getIndex () const

const Index &	getContainer () const

double	getExtent () const

bool	hasFiniteExtent () const

std::string	serialize (Mode mode) const

Public Member Functions inherited from TBTK::Serializable
template<>
std::string	serialize (const bool &data, Mode mode)

template<>
std::string	serialize (const double &data, Mode mode)

template<>
std::string	serialize (const std::complex< double > &data, Mode mode)

template<>
std::string	serialize (const int &data, Mode mode)

template<>
std::string	serialize (const unsigned int &data, Mode mode)

template<>
std::string	serialize (const SpinMatrix &data, Mode mode)

template<>
std::string	serialize (const Statistics &data, Mode mode)

template<>
std::string	serialize (const std::vector< std::complex< double >> &data, Mode mode)

template<>
int	deserialize (const std::string &serialization, Mode mode)

template<>
unsigned int	deserialize (const std::string &serialization, Mode mode)

template<>
double	deserialize (const std::string &serialization, Mode mode)

template<>
std::complex< double >	deserialize (const std::string &serialization, Mode mode)

template<>
SpinMatrix	deserialize (const std::string &serialization, Mode mode)

template<>
Statistics	deserialize (const std::string &serialization, Mode mode)

template<>
std::vector< std::complex< double > >	deserialize (const std::string &serialization, Mode mode)

Additional Inherited Members
Public Types inherited from TBTK::AbstractState
enum	StateID { Basic = 0, STO3G = 1, Gaussian = 2 }

Public Types inherited from TBTK::Serializable
enum	Mode { Debug, Binary, XML, JSON }

Static Public Member Functions inherited from TBTK::Serializable
static bool	hasID (const std::string &serialization, Mode mode)

static std::string	getID (const std::string &serialization, Mode mode)

static std::string	extractComponent (const std::string &serialization, const std::string &containerID, const std::string &componentID, const std::string &componentName, Mode mode)

Static Protected Member Functions inherited from TBTK::Serializable
static bool	validate (const std::string &serialization, const std::string &id, Mode mode)

static std::string	getContent (const std::string &serialization, Mode mode)

static std::vector< std::string >	split (const std::string &content, Mode mode)

template<typename DataType >
static std::enable_if<!std::is_pointer< DataType >::value, std::string >::type	serialize (const DataType &data, Mode mode)

template<typename DataType >
static std::enable_if< std::is_pointer< DataType >::value, std::string >::type	serialize (const DataType &data, Mode mode)

template<typename DataType >
static DataType	deserialize (const std::string &serialization, Mode mode)

static std::string	extract (const std::string &serialization, Mode mode, std::string component)

Constructor & Destructor Documentation

◆ Sto3g()

TBTK::Sto3g::Sto3g	(	double	slaterExponent,
		const std::vector< double > &	coordinates,
		const Index &	index,
		int	spinIndex = `-1`
	)

Constructor.

Parameters

slaterExponent	The slater exponent.
coordinates	The coordinate at which the state is centered.
index	The state index.
spinIndex	Flag indicating which subindex that is a spin index. If set to -1, the state is considered spinless.